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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy | |
| Cation | Neutral | Difference | Vertical | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -130.0388947 | -130.4130817 | 0.3741870 | 0.0000000 | 130.4130817 | ||||||
| cm-1 | 2918.8 | 3011.0 | -92.2 | ||||||||
| eV | -3538.538 | 0.362 | -3538.176 | -3548.720 | 0.373 | -3548.347 | 10.182 | -0.011 | 10.171 | 0.000 | 3548.720 |